6PWY

Structure of C. elegans ZK177.8, SAMHD1 ortholog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	90.681, 90.557, 93.357
Unit cell angles	65.58, 65.49, 86.22

Refinement procedure

Resolution	46.030 - 1.810
R-factor	0.1835
Rwork	0.182
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bzb
RMSD bond length	0.014
RMSD bond angle	1.704
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BUCCANEER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.099	0.045	0.728
Rmeas	0.129	0.057	0.956
Rpim	0.082	0.034	0.614
Total number of observations	417412
Number of reflections	209546	10844	10114
<I/σ(I)>	9.8
Completeness [%]	94.1	97.3	91.3
Redundancy	2	2.3	2
CC(1/2)		0.994	0.163

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8	298	0.1 M SPG, pH 5.5, 20% w/v PEG3350